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Details

Stereochemistry ACHIRAL
Molecular Formula C8H12O
Molecular Weight 124.1803
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of 2,6-Octadienal, (2E,6Z)-

SMILES

C\C=C/CC\C=C\C=O

InChI

InChIKey=CBXNRMOWVZUZQA-BRXUXDTNSA-N
InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-3,6-8H,4-5H2,1H3/b3-2-,7-6+

HIDE SMILES / InChI

Molecular Formula C8H12O
Molecular Weight 124.1803
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:26:30 GMT 2025
Edited
by admin
on Wed Apr 02 16:26:30 GMT 2025
Record UNII
XA97AW7T5Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-Octadienal, (2E,6Z)-
Systematic Name English
FEMA NO. 5003
Preferred Name English
(2E,6Z)-2,6-Octadienal
Common Name English
2,6-Octadienal
Common Name English
Code System Code Type Description
FDA UNII
XA97AW7T5Y
Created by admin on Wed Apr 02 16:26:30 GMT 2025 , Edited by admin on Wed Apr 02 16:26:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID001314440
Created by admin on Wed Apr 02 16:26:30 GMT 2025 , Edited by admin on Wed Apr 02 16:26:30 GMT 2025
PRIMARY
CAS
76917-23-2
Created by admin on Wed Apr 02 16:26:30 GMT 2025 , Edited by admin on Wed Apr 02 16:26:30 GMT 2025
PRIMARY
PUBCHEM
20836195
Created by admin on Wed Apr 02 16:26:30 GMT 2025 , Edited by admin on Wed Apr 02 16:26:30 GMT 2025
PRIMARY
CAS
149231-57-2
Created by admin on Wed Apr 02 16:26:30 GMT 2025 , Edited by admin on Wed Apr 02 16:26:30 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
IMPURITY -> PARENT